(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid

C6H7BClNO3 — CID 142793277

IUPAC(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cc(Cl)ncc1OB(O)O
InChIInChI=1S/C6H7BClNO3/c1-4-2-6(8)9-3-5(4)12-7(10)11/h2-3,10-11H,1H3
InChIKeyKBKGFNUPUAJYSM-UHFFFAOYSA-N
MW187.39 g/mol
LogP0.39
Rot. Bonds2

About (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid

(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid (PubChem CID 142793277) has the molecular formula C6H7BClNO3 and a molecular weight of 187.39 g/mol. Its IUPAC name is (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
PubChem CID142793277
Molecular FormulaC6H7BClNO3
Molecular Weight187.39 g/mol
Exact Mass187.02
IUPAC Name(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cc(Cl)ncc1OB(O)O
InChIInChI=1S/C6H7BClNO3/c1-4-2-6(8)9-3-5(4)12-7(10)11/h2-3,10-11H,1H3
InChIKeyKBKGFNUPUAJYSM-UHFFFAOYSA-N
XLogP0.39
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid
CID 142756994
2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
CID 82225259
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
[2-chloro-5-(trideuteriomethoxy)-4-pyridinyl]boronic acid
CID 171486891
(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
CID 142736729
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118419790
(4-fluoro-2-methylphenoxy)boronic acid
CID 14579594
2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785052
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
(6-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
CID 142770118
(5-methyl-3-pyridinyl)oxyboronic acid
CID 142647685
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid (CID 142793277) is (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid is Cc1cc(Cl)ncc1OB(O)O.
What is the InChIKey of (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid?
The InChIKey is KBKGFNUPUAJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BClNO3/c1-4-2-6(8)9-3-5(4)12-7(10)11/h2-3,10-11H,1H3.
What are the key properties of (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid?
(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid has a molecular weight of 187.39 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142793277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).